3-Ethoxyisoquinoline

HCID 640966
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Basic information

Standard SMILES
CCOc1cc2ccccc2cn1
InChIKey
IZPZUGQJVNFYLH-UHFFFAOYSA-N
Molecular formula
C11H11NO
Average molar mass
173.21 g/mol

Names & identifiers

Preferred name
3-Ethoxyisoquinoline
IUPAC
3-ethoxyisoquinoline

Names & synonyms

3-ethoxyisoquinolineisoquinoline, 3-ethoxy-ethyl isoquinolin-3-yl etherSCHEMBL3372681IZPZUGQJVNFYLH-UHFFFAOYSA-NSBB088778AKOS006277062AC-907/34122030InChI=1/C11H11NO/c1-2-13-11-7-9-5-3-4-6-10(9)8-12-11/h3-8H,2H2,1H

Database identifiers

PubChem CID
640966

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13

Related reactions

6 records
New reaction record

Compound notes

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